Design of circularly polarized phosphorescence materials guided by transfer learning

Xu Liu, Yihan Zhang, Yifan Xie, Ledu Wang, Liyu Gan, Jialei Li, Jiahe Li, Hongli Zhang, Linjiang Chen, Weiwei Shang (), Jun Jiang () and Gang Zou ()
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Xu Liu: University of Science and Technology of China
Yihan Zhang: University of Science and Technology of China
Yifan Xie: University of Science and Technology of China
Ledu Wang: University of Science and Technology of China
Liyu Gan: University of Science and Technology of China
Jialei Li: University of Science and Technology of China
Jiahe Li: University of Science and Technology of China
Hongli Zhang: University of Science and Technology of China
Linjiang Chen: University of Science and Technology of China
Weiwei Shang: University of Science and Technology of China
Jun Jiang: University of Science and Technology of China
Gang Zou: University of Science and Technology of China

Nature Communications, 2025, vol. 16, issue 1, 1-10

Abstract: Abstract It is highly desirable that artificial circularly polarized phosphorescent materials with high luminescence asymmetry factor (glum), narrowband emission and tunable chiral phosphorescent performance can be constructed. Especially, precise control and simultaneous independent switching of circularly polarized fluorescent and phosphorescent performance for the same molecules remain a formidable challenge. Herein, we propose a strategy to customized design of circularly polarized phosphorescent materials based on large language models and transfer learning methods, which not only enables efficient identification of suitable synthesis precursors, but also provides valuable guidance for experimental procedures. We demonstrate the significant advantages of transfer learning with limited chemical data, and precisely fabricate films with high glum (1.86), narrow full-width at half-maximum (49 nm) and customized circularly polarized phosphorescent performance with targeted spectral position. The inverse customization of materials with user-specified circularly polarized fluorescent/phosphorescent performance can be achieved, favoring their application in multicolor display and multidimensional information encryption.

Date: 2025
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DOI: 10.1038/s41467-025-60310-6

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